Metabolomics Structure Database

 
MW REGNO: 45633
Common Name:2'-Hydroxy-5'-methylacetophenone
Systematic Name:1-(2-hydroxy-5-methylphenyl)ethan-1-one
Synonyms: [PubChem Synonyms]
Exact Mass:
150.0681 (neutral)    Calculate m/z:
Formula:C9H10O2
InChIKey:YNPDFBFVMJNGKZ-UHFFFAOYSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbonyl compounds [C0001831]
ClassyFire direct parent:Alkyl-phenylketones [C0004298]
SMILES:Cc1ccc(c(c1)C(=O)C)O
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:15068
HMDB ID:HMDB0032592
Chemspider ID:14340
Plant Metabolite Hub(Pmhub):MS000111847

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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